7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide

C19H22BrFN2O2 — CID 68707273

IUPAC7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide
SMILESBr.COCCn1c(C)c(C)c2nccc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C19H21FN2O2.BrH/c1-13-14(2)22(10-11-23-3)19-17(8-9-21-18(13)19)24-12-15-4-6-16(20)7-5-15;/h4-9H,10-12H2,1-3H3;1H
InChIKeyMYUXNDZUPLNJIN-UHFFFAOYSA-N
MW409.30 g/mol
LogP4.60
Rot. Bonds6

About 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide

7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide (PubChem CID 68707273) has the molecular formula C19H22BrFN2O2 and a molecular weight of 409.30 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide
PubChem CID68707273
Molecular FormulaC19H22BrFN2O2
Molecular Weight409.30 g/mol
Exact Mass408.08
IUPAC Name7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide
SMILESBr.COCCn1c(C)c(C)c2nccc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C19H21FN2O2.BrH/c1-13-14(2)22(10-11-23-3)19-17(8-9-21-18(13)19)24-12-15-4-6-16(20)7-5-15;/h4-9H,10-12H2,1-3H3;1H
InChIKeyMYUXNDZUPLNJIN-UHFFFAOYSA-N
XLogP4.60
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide (CID 68707273) is 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide is Br.COCCn1c(C)c(C)c2nccc(OCc3ccc(F)cc3)c21.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide?
The InChIKey is MYUXNDZUPLNJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2.BrH/c1-13-14(2)22(10-11-23-3)19-17(8-9-21-18(13)19)24-12-15-4-6-16(20)7-5-15;/h4-9H,10-12H2,1-3H3;1H.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide?
7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide has a molecular weight of 409.30 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[3,2-b]pyridine;hydrobromide is sourced from PubChem (CID 68707273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).